188058

Source:http://linkedlifedata.com/resource/chembl/compound/188058

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:standardIn...	InChI=1S/C9H10O3/c1-2-12-8-5-3-7(4-6-8)9(10)11/h3-6H,2H2,1H3,(H,10,11)
chemicalCompound:standardIn...	SHSGDXCJYVZFTP-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCOc1ccc(cc1)C(=O)O
chemicalCompound:molecularF...	C9 H10 O3
chemicalCompound:moleculeId	188058
chemicalCompound:mwFreebase	166.174
chemicalCompound:alogp	1.792
chemicalCompound:hba	3
chemicalCompound:hbd	1
chemicalCompound:psa	46.53
chemicalCompound:rtb	3
chemicalCompound:ro3Pass	Y
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	4.492
chemicalCompound:acdLogP	2.285
chemicalCompound:acdLogD	-0.427
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	166.174
chemicalCompound:chemblId	CHEMBL324769
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:288058
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	No
chemicalCompound:parenteral	No
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No
chemicalCompound:activity	activity:228732, activity:228733, activity:228734